#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2akl s VAL 2 N 0.00 4.67 0.05 3.17 0.11 -1.26 -5.09 120.40 122.05 2akl s VAL 2 Ca 0.00 -0.82 -0.26 0.00 -2.93 0.00 0.00 61.98 57.97 2akl s VAL 2 Cb 0.00 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 2akl s VAL 2 CO 0.00 0.04 0.81 -0.94 -3.33 0.00 0.00 175.10 171.68 2akl s SER 3 N -2.69 7.26 -0.12 3.54 1.04 -1.26 -4.92 113.70 116.55 2akl s SER 3 Ca 0.31 1.51 0.12 0.00 0.48 0.00 0.00 55.95 58.36 2akl s SER 3 Cb -0.12 -2.49 0.55 0.00 0.10 0.00 0.00 66.02 64.06 2akl s SER 3 CO 0.24 -0.02 1.39 1.07 0.98 0.00 0.00 173.24 176.89 2akl n THR 4 N 2.90 1.61 -2.60 2.02 5.66 -1.26 -4.93 114.28 117.67 2akl n THR 4 Ca -0.01 -0.91 -0.27 0.00 -3.05 0.00 0.00 64.05 59.81 2akl n THR 4 Cb 0.50 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 2akl n THR 4 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2akl s LEU 5 N -1.69 3.57 0.85 1.09 1.43 -1.26 -5.07 118.68 117.60 2akl s LEU 5 Ca 0.38 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 54.26 2akl s LEU 5 Cb 0.26 -3.83 0.10 0.00 0.03 0.00 0.00 46.19 42.76 2akl s LEU 5 CO 0.15 -0.65 1.12 -2.16 0.23 0.00 0.00 176.35 175.04 2akl s PRO 6 N -4.78 1.60 0.00 1.29 0.04 -1.26 -5.03 135.00 126.86 2akl s PRO 6 Ca 0.48 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2akl s PRO 6 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2akl s PRO 6 CO 0.45 -2.17 0.00 -0.35 0.04 0.00 0.00 177.00 174.97 2akl n PRO 7 N -3.90 -1.35 -3.51 0.56 -0.04 -1.26 -4.84 135.00 120.66 2akl n PRO 7 Ca 0.11 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.19 2akl n PRO 7 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 2akl n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2akl n PRO 9 N 4.63 0.41 0.00 0.00 -0.04 -1.26 0.22 135.00 138.96 2akl n PRO 9 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2akl n PRO 9 Cb 0.51 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 2akl n PRO 9 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2akl n GLN 10 N -0.40 1.83 -0.05 0.54 6.02 -1.26 -4.91 117.38 119.16 2akl n GLN 10 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2akl n GLN 10 Cb 0.01 -0.93 -0.04 0.00 1.02 0.00 0.00 30.24 30.30 2akl n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2akl n ASN 12 N -3.13 -4.37 0.11 0.00 5.15 0.13 -4.88 115.26 108.28 2akl n ASN 12 Ca -0.19 0.07 -0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2akl n ASN 12 Cb 0.66 -2.13 0.29 0.00 -0.53 0.00 0.00 39.78 38.08 2akl n ASN 12 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2akl h SER 13 N 0.00 0.23 0.00 1.20 4.64 -1.95 -3.45 113.55 114.22 2akl h SER 13 Ca -0.06 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2akl h SER 13 Cb 0.53 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2akl h SER 13 CO 0.09 0.53 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 2akl n GLU 14 N -4.12 0.00 -0.99 4.77 1.02 -1.26 -4.92 120.64 115.14 2akl n GLU 14 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2akl n GLU 14 Cb 0.39 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.60 2akl n GLU 14 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2akl n TYR 15 N -2.44 0.41 -3.98 -0.32 4.02 -1.26 -4.86 117.16 108.73 2akl n TYR 15 Ca 0.00 -1.52 -0.31 0.00 -0.01 0.00 0.00 57.90 56.06 2akl n TYR 15 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 39.34 37.97 2akl n TYR 15 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2akl s THR 16 N -0.04 4.97 0.19 -0.72 2.01 -1.26 -4.29 115.64 116.51 2akl s THR 16 Ca 0.50 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 2akl s THR 16 Cb 0.26 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2akl s THR 16 CO -0.04 0.12 0.18 -0.72 -0.69 0.00 0.00 174.62 173.47 2akl s TYR 17 N -1.46 0.97 -0.29 4.92 1.13 -1.15 -4.66 117.35 116.80 2akl s TYR 17 Ca 0.32 -1.24 -0.10 0.00 -1.41 0.00 0.00 57.07 54.64 2akl s TYR 17 Cb -0.13 -0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 40.29 2akl s TYR 17 CO 0.25 -0.68 0.16 -1.83 -2.51 0.00 0.00 175.55 170.95 2akl s GLU 18 N -4.12 3.61 -0.89 -3.49 -1.05 -1.26 -1.47 118.70 110.04 2akl s GLU 18 Ca 0.34 -0.54 -0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2akl s GLU 18 Cb 0.06 -3.58 0.25 0.00 -0.44 0.00 0.00 34.13 30.42 2akl s GLU 18 CO 0.10 -0.30 0.97 -3.47 0.95 0.00 0.00 175.26 173.50 2akl n ASP 19 N 5.01 4.72 0.00 0.83 2.03 -1.13 -4.97 116.55 123.04 2akl n ASP 19 Ca -0.14 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 51.88 2akl n ASP 19 Cb 0.51 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2akl n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2akl n GLY 20 N 1.66 1.02 0.43 0.27 0.00 -1.26 -4.32 105.19 102.98 2akl n GLY 20 Ca 0.25 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.60 2akl n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akl n ALA 21 N 1.64 2.53 -3.45 4.61 0.00 -1.26 -5.02 120.51 119.57 2akl n ALA 21 Ca 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 53.44 51.13 2akl n ALA 21 Cb 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 18.97 2akl n ALA 21 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2akl n LEU 22 N -0.88 0.00 -4.55 0.00 -0.00 -1.26 -4.98 117.00 105.32 2akl n LEU 22 Ca 0.17 -1.43 -0.34 0.00 -0.00 0.00 0.00 56.01 54.41 2akl n LEU 22 Cb 0.70 2.05 -0.11 0.00 -0.00 0.00 0.00 43.42 46.06 2akl n LEU 22 CO 0.07 -0.46 -0.35 -0.76 -0.00 0.00 0.00 177.39 175.89 2akl s LEU 23 N 0.00 3.30 -0.12 1.47 1.43 -0.19 -2.84 118.68 121.72 2akl s LEU 23 Ca 0.09 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2akl s LEU 23 Cb -0.03 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2akl s LEU 23 CO 0.07 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 176.00 2akl s VAL 24 N -0.13 2.28 -0.44 -1.59 1.01 -0.54 -0.35 120.40 120.65 2akl s VAL 24 Ca 0.03 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 2akl s VAL 24 Cb -0.13 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.38 2akl s VAL 24 CO 0.02 0.55 0.42 0.00 0.00 0.00 0.00 175.10 176.09 2akl n PRO 26 N 5.48 0.16 -0.01 0.00 -0.04 -1.26 -2.25 135.00 137.08 2akl n PRO 26 Ca -0.09 0.16 -0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2akl n PRO 26 Cb 0.46 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2akl n PRO 26 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2akl h GLU 27 N 0.00 -0.01 -0.35 0.54 4.81 -1.91 -3.38 114.58 114.28 2akl h GLU 27 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2akl h GLU 27 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2akl h GLU 27 CO 0.00 -0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.27 2akl n ALA 29 N 0.57 -1.79 -3.71 0.00 0.00 -0.95 -5.01 120.51 109.61 2akl n ALA 29 Ca 0.13 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 2akl n ALA 29 Cb 0.32 -3.34 -0.15 0.00 0.00 0.00 0.00 19.45 16.29 2akl n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2akl s HIS 30 N -3.38 -0.21 0.16 0.00 5.04 -1.17 -5.04 115.29 110.70 2akl s HIS 30 Ca 0.19 0.61 -0.08 0.00 -1.54 0.00 0.00 55.06 54.25 2akl s HIS 30 Cb -0.09 -0.12 -0.06 0.00 0.04 0.00 0.00 32.58 32.35 2akl s HIS 30 CO 0.74 -0.23 0.45 -1.21 -2.34 0.00 0.00 174.74 172.15 2akl s GLU 31 N 1.66 3.72 0.15 2.88 8.01 -1.26 -2.21 118.70 131.64 2akl s GLU 31 Ca -0.04 0.10 -0.15 0.00 0.01 0.00 0.00 54.97 54.89 2akl s GLU 31 Cb -0.12 -2.80 0.03 0.00 -4.31 0.00 0.00 34.13 26.93 2akl s GLU 31 CO -0.06 0.43 0.41 1.67 0.01 0.00 0.00 175.26 177.72 2akl s TRP 32 N -1.67 -0.10 -0.10 1.61 1.48 0.53 -4.98 118.94 115.71 2akl s TRP 32 Ca 0.42 -0.23 0.04 0.00 -1.06 0.00 0.00 56.10 55.26 2akl s TRP 32 Cb -0.12 0.25 -0.00 0.00 -1.16 0.00 0.00 33.47 32.44 2akl s TRP 32 CO 0.22 -0.76 -0.23 0.45 -4.06 0.00 0.00 176.95 172.57 2akl s SER 33 N -2.84 3.15 0.12 -2.66 0.15 -1.26 -1.02 113.70 109.33 2akl s SER 33 Ca 0.06 -0.54 -0.27 0.00 0.70 0.00 0.00 55.95 55.89 2akl s SER 33 Cb 0.01 -1.42 -0.07 0.00 -1.71 0.00 0.00 66.02 62.83 2akl s SER 33 CO -0.08 0.16 1.63 1.55 1.20 0.00 0.00 173.24 177.69 2akl h PRO 34 N 6.72 -0.47 0.02 5.44 0.13 -1.95 -1.10 132.00 140.78 2akl h PRO 34 Ca -0.20 0.03 -0.36 0.00 -0.87 0.00 0.00 66.00 64.60 2akl h PRO 34 Cb 1.24 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 2akl h PRO 34 CO 0.48 -0.31 -2.26 -1.71 -0.23 0.00 0.00 178.00 173.97 2akl n ASN 35 N -5.40 1.17 0.14 1.44 2.85 -1.26 -4.27 115.26 109.93 2akl n ASN 35 Ca -0.06 0.05 0.12 0.00 -0.11 0.00 0.00 54.58 54.58 2akl n ASN 35 Cb 0.31 0.05 0.52 0.00 1.24 0.00 0.00 39.78 41.90 2akl n ASN 35 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2akl h GLU 36 N 0.01 0.00 -0.04 1.20 4.81 -1.97 -1.46 114.58 117.13 2akl h GLU 36 Ca -0.50 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2akl h GLU 36 Cb 2.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.43 2akl h GLU 36 CO 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 179.01 178.12 2akl h ALA 37 N 2.22 1.65 -0.04 2.92 0.00 -1.38 -1.86 119.26 122.77 2akl h ALA 37 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 2akl h ALA 37 Cb 0.34 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.10 2akl h ALA 37 CO 0.00 0.26 -0.90 0.00 0.00 0.00 0.00 179.25 178.61 2akl h ALA 38 N 1.77 0.16 -1.84 0.00 0.00 -1.52 -3.50 119.26 114.33 2akl h ALA 38 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2akl h ALA 38 Cb 0.34 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2akl h ALA 38 CO 0.02 0.62 -0.48 2.41 0.00 0.00 0.00 179.25 181.82 2akl n THR 39 N -3.94 -1.42 -3.85 0.00 -1.04 -0.70 -5.08 114.28 98.24 2akl n THR 39 Ca -0.10 0.71 -0.09 0.00 -2.04 0.00 0.00 64.05 62.53 2akl n THR 39 Cb 0.81 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 68.07 2akl n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2akl s ALA 40 N -4.68 -0.31 -0.84 2.41 0.00 -1.26 -5.05 121.76 112.03 2akl s ALA 40 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 2akl s ALA 40 Cb 0.00 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.88 2akl s ALA 40 CO 0.00 -0.62 1.30 -1.12 0.00 0.00 0.00 175.76 175.32 2akl s SER 41 N -2.90 6.30 0.48 0.00 0.01 -1.26 -4.99 113.70 111.34 2akl s SER 41 Ca 0.10 -0.91 0.08 0.00 1.31 0.00 0.00 55.95 56.53 2akl s SER 41 Cb 0.03 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.75 2akl s SER 41 CO -0.06 -1.66 0.66 -0.62 0.41 0.00 0.00 173.24 171.97 2akl s ASP 42 N 4.14 5.45 -1.48 2.44 2.15 -1.26 -4.41 116.67 123.71 2akl s ASP 42 Ca 0.37 -0.53 -0.07 0.00 0.43 0.00 0.00 52.55 52.75 2akl s ASP 42 Cb -0.06 -0.37 0.02 0.00 -0.30 0.00 0.00 42.92 42.21 2akl s ASP 42 CO 0.05 -0.98 0.80 0.47 -0.17 0.00 0.00 175.17 175.34 2akl n ASP 43 N -2.01 -5.85 -1.72 -0.34 8.00 -1.26 -4.90 116.55 108.46 2akl n ASP 43 Ca 0.10 -0.42 -0.08 0.00 0.71 0.00 0.00 54.79 55.11 2akl n ASP 43 Cb 0.60 -4.69 0.24 0.00 -0.02 0.00 0.00 41.12 37.25 2akl n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2akl n GLY 44 N -1.65 4.22 0.98 0.44 0.00 -1.26 -4.19 105.19 103.73 2akl n GLY 44 Ca -0.05 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.00 2akl n GLY 44 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2akl n LYS 45 N -0.68 2.28 -1.95 1.61 2.85 -1.26 -4.91 118.16 116.09 2akl n LYS 45 Ca 0.41 -1.93 -0.40 0.00 -1.05 0.00 0.00 58.31 55.34 2akl n LYS 45 Cb 1.32 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 34.22 2akl n LYS 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2akl s VAL 46 N -1.56 2.39 -0.11 0.58 1.01 -1.26 -2.98 120.40 118.47 2akl s VAL 46 Ca 0.37 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 2akl s VAL 46 Cb 0.21 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2akl s VAL 46 CO 0.30 0.06 1.54 -0.63 0.00 0.00 0.00 175.10 176.36 2akl s ILE 47 N -1.21 3.80 0.02 2.22 -1.09 -1.26 -4.73 121.20 118.95 2akl s ILE 47 Ca 0.57 0.96 0.02 0.00 -2.23 0.00 0.00 60.65 59.96 2akl s ILE 47 Cb -0.41 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2akl s ILE 47 CO 0.53 -0.11 0.03 -0.54 -1.23 0.00 0.00 174.94 173.62 2akl s LYS 48 N 3.96 2.84 0.72 2.79 1.02 -1.24 -2.05 119.74 127.78 2akl s LYS 48 Ca 0.68 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 56.02 2akl s LYS 48 Cb -0.29 -2.71 0.11 0.00 -0.52 0.00 0.00 37.83 34.43 2akl s LYS 48 CO 0.25 0.61 1.00 -0.51 -0.92 0.00 0.00 175.35 175.78 2akl s ASP 49 N -1.82 4.42 0.00 2.83 1.01 0.43 -4.51 116.67 119.03 2akl s ASP 49 Ca 0.23 -0.13 0.22 0.00 0.71 0.00 0.00 52.55 53.57 2akl s ASP 49 Cb -0.12 -0.33 1.18 0.00 1.01 0.00 0.00 42.92 44.67 2akl s ASP 49 CO 0.14 -1.81 1.71 -0.24 0.21 0.00 0.00 175.17 175.19 2akl n SER 50 N -2.87 0.00 0.06 0.27 2.88 -0.84 -2.06 113.62 111.05 2akl n SER 50 Ca 0.13 -0.23 0.12 0.00 -1.33 0.00 0.00 58.87 57.56 2akl n SER 50 Cb 0.60 -0.20 0.20 0.00 -0.75 0.00 0.00 64.21 64.06 2akl n SER 50 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2akl n VAL 51 N -1.20 0.33 -0.51 2.46 0.31 -1.26 -4.92 118.33 113.54 2akl n VAL 51 Ca 0.12 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2akl n VAL 51 Cb 0.15 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2akl n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2akl n GLY 52 N 1.35 0.75 3.89 2.92 0.00 -0.88 -5.06 105.19 108.16 2akl n GLY 52 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2akl n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2akl s ASN 53 N -2.20 5.51 -0.07 1.61 6.03 -1.26 -4.88 114.94 119.67 2akl s ASN 53 Ca 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 52.86 51.45 2akl s ASN 53 Cb 0.00 -1.10 -0.03 0.00 -3.03 0.00 0.00 41.25 37.09 2akl s ASN 53 CO 0.00 -0.34 -0.05 -0.69 -2.03 0.00 0.00 177.10 173.99 2akl s VAL 54 N -2.25 3.84 0.55 3.54 1.01 -1.26 -0.43 120.40 125.40 2akl s VAL 54 Ca 0.41 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2akl s VAL 54 Cb -0.07 -2.58 0.05 0.00 0.00 0.00 0.00 36.38 33.78 2akl s VAL 54 CO 0.28 0.59 0.77 -0.76 0.00 0.00 0.00 175.10 175.98 2akl s LEU 55 N -0.85 3.29 0.08 3.92 1.43 -0.87 -4.97 118.68 120.70 2akl s LEU 55 Ca 0.13 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2akl s LEU 55 Cb -0.11 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2akl s LEU 55 CO 0.02 -1.21 -0.18 -1.58 0.23 0.00 0.00 176.35 173.62 2akl s GLN 56 N -4.71 1.07 -0.75 1.70 0.74 -1.26 -4.78 119.66 111.67 2akl s GLN 56 Ca 0.59 -1.02 -0.26 0.00 0.05 0.00 0.00 55.36 54.73 2akl s GLN 56 Cb -0.09 -1.22 -0.04 0.00 1.10 0.00 0.00 33.01 32.77 2akl s GLN 56 CO 0.38 0.29 1.94 0.34 -0.55 0.00 0.00 175.29 177.69 2akl s ASP 57 N -1.63 5.13 0.00 6.67 -1.08 -1.26 -0.78 116.67 123.72 2akl s ASP 57 Ca 0.04 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 2akl s ASP 57 Cb -0.09 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2akl s ASP 57 CO 0.03 -2.62 0.00 0.61 0.52 0.00 0.00 175.17 173.71 2akl n GLY 58 N 6.29 1.18 3.72 2.66 0.00 -0.05 -4.90 105.19 114.10 2akl n GLY 58 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2akl n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2akl s ASP 59 N -1.24 3.03 -0.15 1.61 -1.08 0.04 -2.78 116.67 116.10 2akl s ASP 59 Ca 0.00 1.10 -0.08 0.00 -0.52 0.00 0.00 52.55 53.05 2akl s ASP 59 Cb 0.00 -1.74 -0.04 0.00 -1.46 0.00 0.00 42.92 39.68 2akl s ASP 59 CO 0.00 -2.87 0.13 -0.89 0.52 0.00 0.00 175.17 172.06 2akl s THR 60 N -3.10 5.38 0.31 1.71 2.01 -1.26 -0.36 115.64 120.34 2akl s THR 60 Ca 0.65 0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.91 2akl s THR 60 Cb -0.17 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 2akl s THR 60 CO 0.56 0.54 -0.12 0.27 -0.69 0.00 0.00 174.62 175.18 2akl s ILE 61 N -0.39 2.16 -0.17 1.82 -5.25 -0.08 -1.95 121.20 117.34 2akl s ILE 61 Ca 0.11 -2.24 -0.06 0.00 -0.99 0.00 0.00 60.65 57.47 2akl s ILE 61 Cb -0.12 -2.49 0.08 0.00 2.95 0.00 0.00 42.46 42.88 2akl s ILE 61 CO 0.01 -0.29 0.36 -0.89 -1.79 0.00 0.00 174.94 172.35 2akl s THR 62 N -2.68 -0.57 0.18 8.37 2.01 0.19 -1.78 115.64 121.36 2akl s THR 62 Ca 0.31 0.21 -0.32 0.00 0.31 0.00 0.00 61.69 62.20 2akl s THR 62 Cb 0.01 -0.59 -0.11 0.00 0.01 0.00 0.00 72.50 71.82 2akl s THR 62 CO 0.15 0.09 1.73 0.54 -0.69 0.00 0.00 174.62 176.43 2akl s VAL 63 N 2.54 2.22 -0.72 3.82 0.11 -1.16 -0.70 120.40 126.52 2akl s VAL 63 Ca -0.01 0.08 0.15 0.00 -2.93 0.00 0.00 61.98 59.28 2akl s VAL 63 Cb -0.12 -3.05 0.74 0.00 -1.53 0.00 0.00 36.38 32.42 2akl s VAL 63 CO -0.11 0.00 1.65 2.30 -3.33 0.00 0.00 175.10 175.61 2akl n ILE 64 N 4.17 2.21 -4.11 7.04 -0.00 -0.22 -0.43 119.36 128.01 2akl n ILE 64 Ca 0.16 -1.23 -0.10 0.00 -0.00 0.00 0.00 62.75 61.58 2akl n ILE 64 Cb 0.36 -0.10 -0.09 0.00 -0.00 0.00 0.00 39.64 39.81 2akl n ILE 64 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2akl s LYS 65 N -2.27 1.06 -0.55 6.28 3.01 -1.25 -4.79 119.74 121.23 2akl s LYS 65 Ca 0.51 -1.42 -0.28 0.00 -1.01 0.00 0.00 55.97 53.77 2akl s LYS 65 Cb 0.36 0.29 0.02 0.00 -1.01 0.00 0.00 37.83 37.48 2akl s LYS 65 CO 0.19 -0.34 1.36 0.16 0.51 0.00 0.00 175.35 177.23 2akl s ASP 66 N -3.06 6.23 -0.15 2.83 -4.77 -1.26 -2.50 116.67 113.99 2akl s ASP 66 Ca 0.26 0.30 -0.00 0.00 -3.30 0.00 0.00 52.55 49.80 2akl s ASP 66 Cb 0.06 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.34 2akl s ASP 66 CO 0.04 -1.62 -0.13 -0.76 0.70 0.00 0.00 175.17 173.40 2akl s LEU 67 N 5.71 2.63 0.81 2.11 2.01 0.16 -5.02 118.68 127.09 2akl s LEU 67 Ca 0.51 -0.40 -0.11 0.00 0.01 0.00 0.00 54.13 54.14 2akl s LEU 67 Cb -0.10 -1.61 0.10 0.00 0.01 0.00 0.00 46.19 44.59 2akl s LEU 67 CO 0.26 0.10 1.15 -1.59 1.01 0.00 0.00 176.35 177.29 2akl s LYS 68 N 0.72 1.78 -0.13 1.70 -2.85 -1.26 0.11 119.74 119.81 2akl s LYS 68 Ca -0.06 -0.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2akl s LYS 68 Cb -0.15 -2.00 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 2akl s LYS 68 CO 0.02 -1.64 -0.11 0.08 0.10 0.00 0.00 175.35 173.79 2akl s VAL 69 N -3.53 1.33 0.06 1.79 1.01 -1.18 -4.65 120.40 115.24 2akl s VAL 69 Ca 0.64 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 2akl s VAL 69 Cb -0.09 -1.28 -0.12 0.00 0.00 0.00 0.00 36.38 34.89 2akl s VAL 69 CO 0.48 0.42 1.38 0.07 0.00 0.00 0.00 175.10 177.45 2akl h LYS 70 N 8.04 0.48 0.00 2.72 2.10 -1.98 -3.25 116.57 124.67 2akl h LYS 70 Ca -0.34 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.06 2akl h LYS 70 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2akl h LYS 70 CO 0.47 0.81 -0.76 0.41 -2.00 0.00 0.00 179.45 178.39 2akl n GLY 71 N 0.14 -1.14 3.63 0.07 0.00 -1.26 -4.91 105.19 101.72 2akl n GLY 71 Ca -0.05 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 2akl n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2akl s SER 72 N -3.08 4.60 0.11 1.61 0.01 -1.23 -5.00 113.70 110.72 2akl s SER 72 Ca 0.09 -0.43 0.19 0.00 1.31 0.00 0.00 55.95 57.12 2akl s SER 72 Cb 0.17 -0.92 0.81 0.00 0.21 0.00 0.00 66.02 66.28 2akl s SER 72 CO 0.78 0.11 1.60 -1.20 0.41 0.00 0.00 173.24 174.94 2akl n SER 73 N 0.08 0.30 -4.74 2.44 7.64 -1.26 -4.61 113.62 113.45 2akl n SER 73 Ca -0.11 0.57 -0.40 0.00 1.01 0.00 0.00 58.87 59.94 2akl n SER 73 Cb 0.55 -0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 2akl n SER 73 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2akl s LEU 74 N -3.64 4.58 -0.18 -3.43 1.02 -1.26 -5.00 118.68 110.77 2akl s LEU 74 Ca 0.06 1.92 -0.04 0.00 0.02 0.00 0.00 54.13 56.10 2akl s LEU 74 Cb 0.10 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.68 2akl s LEU 74 CO 0.35 0.05 -0.02 -0.69 0.02 0.00 0.00 176.35 176.05 2akl s VAL 75 N -0.72 3.87 -0.32 -1.59 1.01 -1.26 -3.08 120.40 118.30 2akl s VAL 75 Ca 0.44 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 2akl s VAL 75 Cb -0.26 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.42 2akl s VAL 75 CO 0.32 0.46 0.99 -0.69 0.00 0.00 0.00 175.10 176.18 2akl s VAL 76 N 0.68 4.59 0.08 2.92 1.01 0.31 -4.98 120.40 125.01 2akl s VAL 76 Ca -0.01 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.57 2akl s VAL 76 Cb -0.14 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2akl s VAL 76 CO 0.02 -0.43 -0.01 -1.59 0.00 0.00 0.00 175.10 173.09 2akl s LYS 77 N 3.47 2.54 -0.79 2.72 0.00 -1.26 0.37 119.74 126.79 2akl s LYS 77 Ca 0.42 -0.82 -0.25 0.00 0.00 0.00 0.00 55.97 55.31 2akl s LYS 77 Cb -0.13 -2.53 -0.17 0.00 0.00 0.00 0.00 37.83 35.00 2akl s LYS 77 CO 0.15 0.55 2.48 1.55 0.00 0.00 0.00 175.35 180.08 2akl n VAL 78 N 0.70 -0.03 0.00 1.79 3.14 -1.04 0.48 118.33 123.36 2akl n VAL 78 Ca -0.11 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2akl n VAL 78 Cb 0.52 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 2akl n VAL 78 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2akl n GLY 79 N 6.23 0.12 3.58 7.55 0.00 0.43 -4.94 105.19 118.16 2akl n GLY 79 Ca 0.53 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 2akl n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2akl s THR 80 N -1.03 3.13 -0.31 2.61 2.01 0.18 -4.86 115.64 117.36 2akl s THR 80 Ca 0.00 0.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 2akl s THR 80 Cb 0.00 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 2akl s THR 80 CO 0.00 -0.18 0.72 -0.75 -0.69 0.00 0.00 174.62 173.72 2akl s LYS 81 N 6.92 3.90 -0.22 4.92 2.20 -1.26 -2.98 119.74 133.22 2akl s LYS 81 Ca 0.92 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.95 2akl s LYS 81 Cb -0.24 -3.74 0.06 0.00 -1.51 0.00 0.00 37.83 32.40 2akl s LYS 81 CO 0.30 -0.66 -0.02 0.08 -0.36 0.00 0.00 175.35 174.70 2akl s VAL 82 N 2.82 1.14 0.34 4.02 1.01 -0.73 -5.00 120.40 124.00 2akl s VAL 82 Ca 0.29 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2akl s VAL 82 Cb -0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2akl s VAL 82 CO 0.13 -0.14 0.42 -1.59 0.00 0.00 0.00 175.10 173.93 2akl s LYS 83 N 1.57 2.96 -1.06 2.72 -2.85 -1.26 -0.90 119.74 120.92 2akl s LYS 83 Ca -0.04 -1.13 -0.04 0.00 -1.00 0.00 0.00 55.97 53.75 2akl s LYS 83 Cb -0.18 -2.70 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 2akl s LYS 83 CO -0.07 0.03 0.91 0.09 0.10 0.00 0.00 175.35 176.42 2akl n ASN 84 N -1.58 -4.16 -4.09 0.03 5.03 0.52 -4.84 115.26 106.16 2akl n ASN 84 Ca 0.00 -0.47 -0.29 0.00 0.87 0.00 0.00 54.58 54.69 2akl n ASN 84 Cb 0.59 -4.26 0.24 0.00 -1.02 0.00 0.00 39.78 35.33 2akl n ASN 84 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2akl s ILE 85 N -3.28 1.70 -0.13 2.41 -4.36 -1.10 -4.44 121.20 112.00 2akl s ILE 85 Ca 0.29 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.70 2akl s ILE 85 Cb -0.13 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.31 2akl s ILE 85 CO 0.60 0.00 -0.18 -0.60 0.24 0.00 0.00 174.94 175.00 2akl s ARG 86 N -5.00 2.62 -0.25 0.37 6.06 0.19 -0.87 118.95 122.06 2akl s ARG 86 Ca 0.69 -0.70 -0.26 0.00 -2.50 0.00 0.00 55.73 52.95 2akl s ARG 86 Cb -0.16 -2.20 0.00 0.00 0.06 0.00 0.00 34.95 32.65 2akl s ARG 86 CO 0.59 -0.08 0.92 -0.51 -2.50 0.00 0.00 175.30 173.71 2akl s LEU 87 N 1.02 4.07 0.85 -0.88 1.43 -1.26 -1.06 118.68 122.85 2akl s LEU 87 Ca -0.04 1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 54.10 2akl s LEU 87 Cb -0.15 -3.33 0.18 0.00 0.03 0.00 0.00 46.19 42.92 2akl s LEU 87 CO -0.04 -0.61 1.17 -0.69 0.23 0.00 0.00 176.35 176.40 2akl s VAL 88 N 3.05 2.02 0.10 -1.59 1.01 -1.16 -4.97 120.40 118.86 2akl s VAL 88 Ca 0.39 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 2akl s VAL 88 Cb -0.15 -2.68 -0.12 0.00 0.00 0.00 0.00 36.38 33.44 2akl s VAL 88 CO 0.08 0.00 1.75 -0.78 0.00 0.00 0.00 175.10 176.15 2akl h ASP 89 N -1.10 0.10 -3.59 3.32 3.58 -1.89 -3.43 116.42 113.41 2akl h ASP 89 Ca -0.39 -0.01 -0.52 0.00 0.42 0.00 0.00 57.03 56.54 2akl h ASP 89 Cb 1.24 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.24 2akl h ASP 89 CO 0.36 0.08 0.26 -0.83 -2.88 0.00 0.00 179.24 176.22 2akl s GLY 90 N -2.28 2.98 0.56 -0.78 0.00 -1.26 -4.76 107.32 101.77 2akl s GLY 90 Ca -0.13 0.46 0.37 0.00 0.00 0.00 0.00 44.72 45.43 2akl s GLY 90 CO 0.67 1.08 2.15 -1.80 0.00 0.00 0.00 173.10 175.20 2akl h ASP 91 N 4.60 0.00 -2.03 1.64 3.58 -1.80 -2.69 116.42 119.72 2akl h ASP 91 Ca -0.45 0.00 -0.77 0.00 0.42 0.00 0.00 57.03 56.23 2akl h ASP 91 Cb 1.20 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.98 2akl h ASP 91 CO 0.68 0.00 1.01 1.41 -2.88 0.00 0.00 179.24 179.46 2akl n HIS 92 N -2.82 2.97 -3.15 0.28 8.25 -1.26 -3.59 115.22 115.90 2akl n HIS 92 Ca -0.02 -2.39 0.04 0.00 -0.26 0.00 0.00 57.72 55.09 2akl n HIS 92 Cb 0.06 -1.16 -0.00 0.00 1.12 0.00 0.00 29.99 30.01 2akl n HIS 92 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2akl s ASP 93 N -1.20 -1.46 -0.26 0.41 1.01 -1.02 -4.64 116.67 109.51 2akl s ASP 93 Ca 0.50 0.31 -0.05 0.00 0.71 0.00 0.00 52.55 54.02 2akl s ASP 93 Cb 0.40 1.99 0.01 0.00 1.01 0.00 0.00 42.92 46.32 2akl s ASP 93 CO -0.37 -0.27 0.02 -0.63 0.21 0.00 0.00 175.17 174.13 2akl s ILE 94 N 2.85 3.61 -0.14 0.77 1.09 -1.14 -2.96 121.20 125.27 2akl s ILE 94 Ca 0.13 -0.67 -0.16 0.00 -1.10 0.00 0.00 60.65 58.85 2akl s ILE 94 Cb -0.10 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.46 2akl s ILE 94 CO -0.24 0.21 0.38 -0.62 -0.10 0.00 0.00 174.94 174.57 2akl s ASP 95 N 1.47 6.56 0.04 3.58 2.15 -0.23 -1.82 116.67 128.42 2akl s ASP 95 Ca 0.03 0.66 -0.06 0.00 0.43 0.00 0.00 52.55 53.61 2akl s ASP 95 Cb -0.16 -2.23 -0.01 0.00 -0.30 0.00 0.00 42.92 40.22 2akl s ASP 95 CO -0.00 0.06 0.11 0.00 -0.17 0.00 0.00 175.17 175.17 2akl s LYS 97 N -2.54 2.86 -0.18 0.00 1.02 -1.26 -0.86 119.74 118.78 2akl s LYS 97 Ca -0.05 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2akl s LYS 97 Cb -0.01 -2.19 0.02 0.00 -0.52 0.00 0.00 37.83 35.13 2akl s LYS 97 CO -0.04 0.14 -0.17 0.42 -0.92 0.00 0.00 175.35 174.78 2akl s ILE 98 N 0.43 1.92 -0.04 2.17 1.01 0.97 -4.93 121.20 122.73 2akl s ILE 98 Ca -0.17 -0.92 -0.33 0.00 0.00 0.00 0.00 60.65 59.22 2akl s ILE 98 Cb -0.17 -1.79 -0.11 0.00 0.01 0.00 0.00 42.46 40.39 2akl s ILE 98 CO 0.07 0.46 1.88 0.47 0.00 0.00 0.00 174.94 177.82 2akl n ASP 99 N 4.65 3.58 0.00 3.58 8.00 -1.26 -1.65 116.55 133.45 2akl n ASP 99 Ca -0.19 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.28 2akl n ASP 99 Cb 0.49 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2akl n ASP 99 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2akl n GLY 100 N 4.36 2.45 0.12 0.44 0.00 -1.26 -4.78 105.19 106.52 2akl n GLY 100 Ca 0.22 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 2akl n GLY 100 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2akl h ILE 101 N 0.00 1.47 0.00 -0.61 3.07 -2.02 -3.50 117.51 115.92 2akl h ILE 101 Ca 0.00 -1.90 0.00 0.00 1.55 0.00 0.00 64.86 64.51 2akl h ILE 101 Cb 0.00 2.56 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 2akl h ILE 101 CO 0.00 0.54 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 2akl n GLY 102 N 0.93 0.69 3.85 0.16 0.00 -0.66 -5.04 105.19 105.11 2akl n GLY 102 Ca -0.09 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 2akl n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2akl s ALA 103 N -1.14 3.50 0.11 4.61 0.00 -1.26 -0.02 121.76 127.57 2akl s ALA 103 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 2akl s ALA 103 Cb 0.00 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2akl s ALA 103 CO 0.00 0.42 0.10 1.41 0.00 0.00 0.00 175.76 177.69 2akl s MET 104 N -2.32 0.88 -0.04 0.00 0.00 -0.04 -4.92 119.30 112.86 2akl s MET 104 Ca 0.44 -1.28 0.05 0.00 0.00 0.00 0.00 55.69 54.90 2akl s MET 104 Cb -0.14 0.27 -0.02 0.00 0.00 0.00 0.00 34.83 34.94 2akl s MET 104 CO 0.20 -0.26 -0.18 -1.59 0.00 0.00 0.00 175.02 173.19 2akl s LYS 105 N -3.98 2.36 0.04 4.11 0.00 -1.26 -2.03 119.74 118.98 2akl s LYS 105 Ca 0.16 -0.78 0.09 0.00 0.00 0.00 0.00 55.97 55.44 2akl s LYS 105 Cb 0.06 -2.26 -0.03 0.00 0.00 0.00 0.00 37.83 35.61 2akl s LYS 105 CO -0.03 0.60 -0.26 -0.51 0.00 0.00 0.00 175.35 175.15 2akl s LEU 106 N -0.69 2.16 -0.26 2.77 1.43 -0.75 -4.98 118.68 118.35 2akl s LEU 106 Ca 0.11 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.34 2akl s LEU 106 Cb -0.10 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2akl s LEU 106 CO -0.00 0.26 1.01 -0.75 0.23 0.00 0.00 176.35 177.11 2akl s LYS 107 N -1.20 4.18 0.37 1.70 2.20 -1.26 -2.90 119.74 122.82 2akl s LYS 107 Ca 0.12 1.19 0.15 0.00 -0.36 0.00 0.00 55.97 57.06 2akl s LYS 107 Cb -0.10 -3.67 1.02 0.00 -1.51 0.00 0.00 37.83 33.56 2akl s LYS 107 CO 0.02 -0.70 1.76 0.77 -0.36 0.00 0.00 175.35 176.84 2akl h SER 108 N 7.70 0.53 0.52 1.43 0.02 -1.83 0.25 113.55 122.18 2akl h SER 108 Ca -0.20 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2akl h SER 108 Cb 1.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2akl h SER 108 CO 0.98 0.11 0.00 -0.62 -1.14 0.00 0.00 176.83 176.16 2akl n GLU 109 N -4.70 0.08 0.00 3.45 1.02 -1.26 -1.99 120.64 117.24 2akl n GLU 109 Ca 0.25 0.17 0.04 0.00 -0.02 0.00 0.00 57.16 57.60 2akl n GLU 109 Cb 0.82 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.76 2akl n GLU 109 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2akl n PHE 110 N -1.43 0.00 -4.12 -0.32 3.72 0.87 -4.45 117.46 111.74 2akl n PHE 110 Ca 0.06 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.20 2akl n PHE 110 Cb 0.19 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 2akl n PHE 110 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2akl s VAL 111 N -0.72 2.16 -0.14 -4.37 -7.23 -0.98 -1.06 120.40 108.06 2akl s VAL 111 Ca 0.09 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 2akl s VAL 111 Cb 0.06 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 34.21 2akl s VAL 111 CO 0.11 0.00 0.37 -0.60 -0.31 0.00 0.00 175.10 174.67 2akl s ARG 112 N -3.96 0.42 -0.07 4.82 3.52 0.12 -2.14 118.95 121.65 2akl s ARG 112 Ca 0.38 0.55 -0.29 0.00 -0.13 0.00 0.00 55.73 56.24 2akl s ARG 112 Cb 0.03 0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.52 2akl s ARG 112 CO 0.21 -0.07 1.91 0.21 -0.81 0.00 0.00 175.30 176.75 2akl s LYS 113 N 0.41 3.88 0.10 5.12 2.20 -1.26 0.55 119.74 130.73 2akl s LYS 113 Ca -0.02 2.27 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 2akl s LYS 113 Cb -0.04 -4.16 -0.11 0.00 -1.51 0.00 0.00 37.83 32.01 2akl s LYS 113 CO -0.02 -1.23 1.62 0.28 -0.36 0.00 0.00 175.35 175.64 2akl h VAL 114 N 6.02 0.31 0.00 4.02 2.07 -1.68 -3.47 116.25 123.52 2akl h VAL 114 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2akl h VAL 114 Cb 1.21 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2akl h VAL 114 CO 0.96 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.16 2akl n GLY 115 N -1.44 0.99 0.15 2.17 0.00 -1.26 -5.08 105.19 100.72 2akl n GLY 115 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2akl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76